| Package | Description | 
|---|---|
| org.biojava.nbio.structure.contact | |
| org.biojava.nbio.structure.xtal | 
| Modifier and Type | Method and Description | 
|---|---|
void | 
Grid.addAtoms(Atom[] atoms,
        BoundingBox bounds)
Adds a set of atoms, subsequent call to getContacts will produce the interatomic contacts. 
 | 
void | 
Grid.addAtoms(Atom[] iAtoms,
        BoundingBox icoordbounds,
        Atom[] jAtoms,
        BoundingBox jcoordbounds)
Adds the i and j atoms and fills the grid, passing their bounds (array of size 6 with x,y,z minima and x,y,z maxima)
 This way the bounds don't need to be recomputed. 
 | 
boolean | 
BoundingBox.overlaps(BoundingBox o,
        double cutoff)
Returns true if this bounding box overlaps given one, i.e. they are within
 one cutoff distance in one of their 3 dimensions. 
 | 
| Constructor and Description | 
|---|
BoundingBox(BoundingBox bb)  | 
BoundingBox(BoundingBox[] boxes)
Given a set of bounding boxes returns a bounding box that bounds all of them. 
 | 
| Modifier and Type | Method and Description | 
|---|---|
BoundingBox | 
UnitCellBoundingBox.getAuBoundingBox(int cellIdx)
Get the AU BoundingBox for the given cell index (cellIdx=0 would be original AU)
 The AU BoundingBox is the BoundingBox that bounds all chains belonging to the AU 
 | 
BoundingBox | 
UnitCellBoundingBox.getChainBoundingBox(int cellIdx,
                   int chainIdx)
Get the chain BoundingBox for the given cell index (cellIdx=0 would be original AU)
 and chain index 
 | 
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